N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine

C17H20FNOS — CID 79212686

IUPACN-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(F)c1)c1ccccc1SC
InChIInChI=1S/C17H20FNOS/c1-4-19-17(13-7-5-6-8-16(13)21-3)12-9-10-15(20-2)14(18)11-12/h5-11,17,19H,4H2,1-3H3
InChIKeyCTUVRVMIUQBALM-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.26
Rot. Bonds6

About N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine

N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine (PubChem CID 79212686) has the molecular formula C17H20FNOS and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine
PubChem CID79212686
Molecular FormulaC17H20FNOS
Molecular Weight305.42 g/mol
Exact Mass305.12
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(F)c1)c1ccccc1SC
InChIInChI=1S/C17H20FNOS/c1-4-19-17(13-7-5-6-8-16(13)21-3)12-9-10-15(20-2)14(18)11-12/h5-11,17,19H,4H2,1-3H3
InChIKeyCTUVRVMIUQBALM-UHFFFAOYSA-N
XLogP4.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 43493633
N-[(2,4-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43493809
N-[(3-fluoro-4-methoxyphenyl)-(2-methylphenyl)methyl]propan-1-amine
CID 43498303
N-[(3-bromo-4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 79747190
N-[(4-fluorophenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 43488877
1-(2-ethoxyphenyl)-1-(3-fluoro-4-methoxyphenyl)-N-methylmethanamine
CID 43487683
N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 81454945
N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105144595
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
[(2-ethoxyphenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105260791
N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755268
N-[(3,4-difluorophenyl)-(2-methoxyphenyl)methyl]propan-1-amine
CID 43496515

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine (CID 79212686) is N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine is CCNC(c1ccc(OC)c(F)c1)c1ccccc1SC.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine?
The InChIKey is CTUVRVMIUQBALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNOS/c1-4-19-17(13-7-5-6-8-16(13)21-3)12-9-10-15(20-2)14(18)11-12/h5-11,17,19H,4H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine?
N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine has a molecular weight of 305.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine is sourced from PubChem (CID 79212686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).